CID 203260

Salicylic acid, 4-(2-piperidinoacetamido)-, methyl ester, hydrochloride

Structural Information

Molecular Formula
C15H20N2O4
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)CN2CCCCC2)O
InChI
InChI=1S/C15H20N2O4/c1-21-15(20)12-6-5-11(9-13(12)18)16-14(19)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,16,19)
InChIKey
XRTUOGLYKSSTBV-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-[(2-piperidin-1-ylacetyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.149576 167.4
[M+Na]+ 315.131518 170.8
[M-H]- 291.135024 170.4
[M+NH4]+ 310.176123 179.9
[M+K]+ 331.105458 168.5
[M+H-H2O]+ 275.139560 158.9
[M+HCOO]- 337.140501 184.5
[M+CH3COO]- 351.156151 200.8
[M+Na-2H]- 313.116966 168.3
[M]+ 292.14175142 164.2
[M]- 292.14284858 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.